Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C12H9NO2S/c14-11-9-3-1-2-4-10(9)12(15,13-11)8-5-6-16-7-8/h1-7,15H,(H,13,14)
SMILES O=C1NC(c2c1cccc2)(O)c1ccsc1
InChI Key YZXLCIJEPZLUJU-UHFFFAOYSA-N
Molecular Formula C12H9NO2S
Exact Mass 231.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YZXLCIJEPZLUJU-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/YZXLCIJEPZLUJU-UHFFFAOYSA-N/CHMO0000593
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-12-15
Related Molecule
  • 3-hydroxy-3-thiophen-3-yl-2H-isoindol-1-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    169452721 pubchem
    The data in this table is sourced from UniChem at EBI.